5-bromo-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]furan-2-carboxamide

C15H12BrN3O3 — CID 90490004

IUPAC5-bromo-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]furan-2-carboxamide
SMILESCn1nc(CNC(=O)c2ccc(Br)o2)c2ccccc2c1=O
InChIInChI=1S/C15H12BrN3O3/c1-19-15(21)10-5-3-2-4-9(10)11(18-19)8-17-14(20)12-6-7-13(16)22-12/h2-7H,8H2,1H3,(H,17,20)
InChIKeyOELCSHPPPLZODX-UHFFFAOYSA-N
MW362.18 g/mol
LogP2.22
Rot. Bonds3

About 5-bromo-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]furan-2-carboxamide

5-bromo-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]furan-2-carboxamide (PubChem CID 90490004) has the molecular formula C15H12BrN3O3 and a molecular weight of 362.18 g/mol. Its IUPAC name is 5-bromo-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]furan-2-carboxamide
PubChem CID90490004
Molecular FormulaC15H12BrN3O3
Molecular Weight362.18 g/mol
Exact Mass361.01
IUPAC Name5-bromo-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]furan-2-carboxamide
SMILESCn1nc(CNC(=O)c2ccc(Br)o2)c2ccccc2c1=O
InChIInChI=1S/C15H12BrN3O3/c1-19-15(21)10-5-3-2-4-9(10)11(18-19)8-17-14(20)12-6-7-13(16)22-12/h2-7H,8H2,1H3,(H,17,20)
InChIKeyOELCSHPPPLZODX-UHFFFAOYSA-N
XLogP2.22
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.18
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489923
4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489941
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]naphthalene-2-carboxamide
CID 90489965
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90490028
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 90489856
4-ethylsulfanyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 166348988
tert-butyl N-[(3-methyl-4-oxophthalazin-1-yl)methyl]carbamate
CID 71779480
5-bromo-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]furan-2-carboxamide
CID 91818533
2,3-dimethoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489934
5-cyclopropyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71779472
5-bromo-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 39891817
5-bromo-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
CID 103883547

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]furan-2-carboxamide (CID 90490004) is 5-bromo-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]furan-2-carboxamide is Cn1nc(CNC(=O)c2ccc(Br)o2)c2ccccc2c1=O.
What is the InChIKey of 5-bromo-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]furan-2-carboxamide?
The InChIKey is OELCSHPPPLZODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O3/c1-19-15(21)10-5-3-2-4-9(10)11(18-19)8-17-14(20)12-6-7-13(16)22-12/h2-7H,8H2,1H3,(H,17,20).
What are the key properties of 5-bromo-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]furan-2-carboxamide?
5-bromo-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]furan-2-carboxamide has a molecular weight of 362.18 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 90490004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).